Summary

IMPPAT Phytochemical identifier: IMPHY007358

Phytochemical name: 1,5,9,13-Tetramethyl-1-vinyltetradecyl acetate

Synonymous chemical names:
isophytyl acetate

External chemical identifiers:
CID:94042

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Chemical structure information

SMILES:
C=CC(OC(=O)C)(CCCC(CCCC(CCCC(C)C)C)C)C

InChI:
InChI=1S/C22H42O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3

InChIKey:
GKWIQRXSJFOVGL-UHFFFAOYSA-N

DeepSMILES:
C=CCOC=O)C)))CCCCCCCCCCCCC)C)))))C)))))C)))))C

Functional groups:
C=CC, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Phytane diterpenoids

NP-Likeness score: 1.303

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Chemical structure download